SCHEMBL10375147

SCHEMBL10375147

CCCCn1ccc(/C=C/C(=O)OCC)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
DPP4 P27487 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
APP P05067 6/20 0.47
MAOB P27338 1/20 0.47
CYP3A4 P08684 1/20 0.46
FDPS P14324 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10375148 1.00 TTR (0.51) TTRDPP4CA12CA1CA2
SCHEMBL18195226 0.92 TTR (0.53) TTRDPP4CA12CA1CA2
SCHEMBL16852806 0.87 TTR (0.56) TTRDPP4CA12CA1CA2
SCHEMBL10375965 0.84 KDM4E (0.42) TTRDPP4CA12CA1CA2
SCHEMBL10375966 0.84 KDM4E (0.42) TTRDPP4CA12CA1CA2
SCHEMBL10377201 0.83 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL10377203 0.83 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL16832019 0.76 KDM4E (0.43) TTRDPP4CA12CA1CA2
SCHEMBL16832018 0.76 KDM4E (0.43) TTRDPP4CA12CA1CA2
SCHEMBL10375031 0.73 TNF (0.51) TNF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117345-B1 AMINOPYRIMIDINONES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-28 EP disclosed
US-4540699-A N-Substituted pyridinones having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-10 US disclosed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP disclosed